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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03425837

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.78
4NL4-AMINOPHENOLA2ORL0.74
HABA,B1SRE0.73
ETY4-ethylphenolA,B,C,D2RA60.71
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.88
2AC2-AMINO-P-CRESOLA1L4M0.88
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.78
EDREDROPHONIUM IONA1AX90.7
EDREDROPHONIUM IONA2ACK0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.82
NPOP-NITROPHENOLA,B1Z440.7
NPOP-NITROPHENOLX2ZYW0.7
NPOP-NITROPHENOLH,L1YEK0.7
NPOP-NITROPHENOLA,C,E,G43CA0.7
NPOP-NITROPHENOLA1LS60.7
NPOP-NITROPHENOLX2ZVP0.7
NPOP-NITROPHENOLA,B2I100.7
NPOP-NITROPHENOLA1VAH0.7
NPOP-NITROPHENOLA,B3ETT0.7
NPOP-NITROPHENOLA,B2D200.7
NPOP-NITROPHENOLX2ZYV0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
MTBA,B1SRF0.75
AEF4-(2-aminoethyl)phenolA3BRA0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
DNF2,4-DINITROPHENOLA,B2B160.71
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.71
DNF2,4-DINITROPHENOLA1GVO0.71
DNF2,4-DINITROPHENOLA,B2B150.71
DNF2,4-DINITROPHENOLA,B2B140.71
DMBA,B1SRI0.75
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
MHBA,B1SRG0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.78
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
2AF2-AMINOPHENOLA1L4N0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
AZY3-AZIDO-L-TYROSINEA2YXN0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
SOAISATOIC ANHYDRIDEA1BIO0.7